S322-0240 Screening compound: 1-(azepan-1-yl)-2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one

S322-0240 Screening compound: 1-(azepan-1-yl)-2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
S322-0240 Screening compound: 1-(azepan-1-yl)-2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S322-0240
1-(azepan-1-yl)-2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

S322-0240

Molecular Formula

C30H28FN5O3S2 (C30 H28 FN5 O3 S2)

Compound Name

1-(azepan-1-yl)-2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one

IUPAC name

1-(azepan-1-yl)-2-({5-[1-(benzenesulfonyl)-1H-indol-3-yl]-4-(4-fluorophenyl)-4H-124-triazol-3-yl}sulfanyl)ethan-1-one

SMILES

O=C(CSc1nnc(-c(c2c3cccc2)cn3S(c2ccccc2)(=O)=O)n1-c(cc1)ccc1F)N1CCCCCC1

InChI

InChI=1S/C30H28FN5O3S2/c31-22-14-16-23(17-15-22)36-29(32-33-30(36)40-21-28(37)34-18-8-1-2-9-19-34)26-20-35(27-13-7-6-12-25(26)27)41(38,39)24-10-4-3-5-11-24/h3-7,10-17,20H,1-2,8-9,18-19,21H2

InChI Key

DOLOPELXISYDHD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27618131

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

589.71

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.410

Distribution Coefficient, logD

5.410

Water Solubility, LogSw

-5.73

Polar Surface Area

70.429

Acid Dissociation Constant (pKa)

20.35

Base Dissociation Constant (pKb)

1.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.30

References: we are preparing a list of scientific research reports with S322-0240 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S322-0240?
Check Price and Availability of S322-0240, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S322-0240 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S322-0240
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S322-0240
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of S322-0240 available by request